[2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile

C148H140Cl4F9N25O11S — CID 159452143

About [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile

[2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile (PubChem CID 159452143) has the molecular formula C148H140Cl4F9N25O11S and a molecular weight of 2789.77 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile.

Molecular Properties

• Compound Name: [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile
• PubChem CID: 159452143
• Molecular Formula: C148H140Cl4F9N25O11S
• Molecular Weight: 2789.77 g/mol
• Exact Mass: 2785.95
• IUPAC Name: [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile
• SMILES: CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(S(C)(=O)=O)C3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.Cc1ccc(Cc2c(N3CCC3)nc3ccc(C(O)(c4ccc(C)nc4)c4cncn4C)cc3c2Cl)cc1
• InChI: InChI=1S/C32H25F2N5O2.C31H30ClN5O.C30H30ClF2N5O2.C28H30ClF2N5O3S.C27H25ClF3N5O3/c1-31(33,34)22-8-4-20(5-9-22)14-26-27(17-36)25-15-24(12-13-28(25)38-30(26)41-3)32(40,29-18-37-19-39(29)2)23-10-6-21(16-35)7-11-23;1-20-5-8-22(9-6-20)15-26-29(32)25-16-23(11-12-27(25)35-30(26)37-13-4-14-37)31(38,28-18-33-19-36(28)3)24-10-7-21(2)34-17-24;1-17-34-15-25(37(17)4)30(39,26-16-35-18(2)38(26)5)21-11-12-24-22(14-21)27(31)23(28(36-24)40-6)13-19-7-9-20(10-8-19)29(3,32)33;1-5-23-21(12-17-6-8-18(9-7-17)27(2,30)31)26(29)22-13-19(10-11-24(22)33-23)28(37,25-14-32-34-35(25)3)20-15-36(16-20)40(4,38)39;1-15(37)36-13-19(14-36)26(38,23-12-32-34-35(23)2)18-8-9-22-20(11-18)24(28)21(25(33-22)39-3)10-16-4-6-17(7-5-16)27(29,30)31/h4-13,15,18-19,40H,14H2,1-3H3;5-12,16-19,38H,4,13-15H2,1-3H3;7-12,14-16,39H,13H2,1-6H3;6-11,13-14,20,37H,5,12,15-16H2,1-4H3;4-9,11-12,19,38H,10,13-14H2,1-3H3
• InChIKey: LTNABKCLTHTADM-UHFFFAOYSA-N
• XLogP: 26.15
• TPSA: 447.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2789.77
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile (CID 159452143) is [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile.

What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile is CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(S(C)(=O)=O)C3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(C#N)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.Cc1ccc(Cc2c(N3CCC3)nc3ccc(C(O)(c4ccc(C)nc4)c4cncn4C)cc3c2Cl)cc1.

What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

The InChIKey is LTNABKCLTHTADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N5O2.C31H30ClN5O.C30H30ClF2N5O2.C28H30ClF2N5O3S.C27H25ClF3N5O3/c1-31(33,34)22-8-4-20(5-9-22)14-26-27(17-36)25-15-24(12-13-28(25)38-30(26)41-3)32(40,29-18-37-19-39(29)2)23-10-6-21(16-35)7-11-23;1-20-5-8-22(9-6-20)15-26-29(32)25-16-23(11-12-27(25)35-30(26)37-13-4-14-37)31(38,28-18-33-19-36(28)3)24-10-7-21(2)34-17-24;1-17-34-15-25(37(17)4)30(39,26-16-35-18(2)38(26)5)21-11-12-24-22(14-21)27(31)23(28(36-24)40-6)13-19-7-9-20(10-8-19)29(3,32)33;1-5-23-21(12-17-6-8-18(9-7-17)27(2,30)31)26(29)22-13-19(10-11-24(22)33-23)28(37,25-14-32-34-35(25)3)20-15-36(16-20)40(4,38)39;1-15(37)36-13-19(14-36)26(38,23-12-32-34-35(23)2)18-8-9-22-20(11-18)24(28)21(25(33-22)39-3)10-16-4-6-17(7-5-16)27(29,30)31/h4-13,15,18-19,40H,14H2,1-3H3;5-12,16-19,38H,4,13-15H2,1-3H3;7-12,14-16,39H,13H2,1-6H3;6-11,13-14,20,37H,5,12,15-16H2,1-4H3;4-9,11-12,19,38H,10,13-14H2,1-3H3.

What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile?

[2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile has a molecular weight of 2789.77 g/mol, XLogP of 26.15, 34 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(azetidin-1-yl)-4-chloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(1-methylsulfonylazetidin-3-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;1-[3-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 159452143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).